7-chloro-2-methyl-2,4-di(thiophen-3-yl)-1,3-dihydro-1,5-benzodiazepine

C18H15ClN2S2 — CID 44542028

IUPAC7-chloro-2-methyl-2,4-di(thiophen-3-yl)-1,3-dihydro-1,5-benzodiazepine
SMILESCC1(c2ccsc2)CC(c2ccsc2)=Nc2cc(Cl)ccc2N1
InChIInChI=1S/C18H15ClN2S2/c1-18(13-5-7-23-11-13)9-17(12-4-6-22-10-12)20-16-8-14(19)2-3-15(16)21-18/h2-8,10-11,21H,9H2,1H3
InChIKeyUTBSTIQGQARCPQ-UHFFFAOYSA-N
MW358.92 g/mol
LogP6.31
Rot. Bonds2

About 7-chloro-2-methyl-2,4-di(thiophen-3-yl)-1,3-dihydro-1,5-benzodiazepine

7-chloro-2-methyl-2,4-di(thiophen-3-yl)-1,3-dihydro-1,5-benzodiazepine (PubChem CID 44542028) has the molecular formula C18H15ClN2S2 and a molecular weight of 358.92 g/mol. Its IUPAC name is 7-chloro-2-methyl-2,4-di(thiophen-3-yl)-1,3-dihydro-1,5-benzodiazepine.

Molecular Properties

Compound Name7-chloro-2-methyl-2,4-di(thiophen-3-yl)-1,3-dihydro-1,5-benzodiazepine
PubChem CID44542028
Molecular FormulaC18H15ClN2S2
Molecular Weight358.92 g/mol
Exact Mass358.04
IUPAC Name7-chloro-2-methyl-2,4-di(thiophen-3-yl)-1,3-dihydro-1,5-benzodiazepine
SMILESCC1(c2ccsc2)CC(c2ccsc2)=Nc2cc(Cl)ccc2N1
InChIInChI=1S/C18H15ClN2S2/c1-18(13-5-7-23-11-13)9-17(12-4-6-22-10-12)20-16-8-14(19)2-3-15(16)21-18/h2-8,10-11,21H,9H2,1H3
InChIKeyUTBSTIQGQARCPQ-UHFFFAOYSA-N
XLogP6.31
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.92
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-chloro-2-methyl-2,4-di(thiophen-3-yl)-1,3-dihydro-1,5-benzodiazepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-methyl-2,4-di(thiophen-3-yl)-1,3-dihydro-1,5-benzodiazepine?
The IUPAC name of 7-chloro-2-methyl-2,4-di(thiophen-3-yl)-1,3-dihydro-1,5-benzodiazepine (CID 44542028) is 7-chloro-2-methyl-2,4-di(thiophen-3-yl)-1,3-dihydro-1,5-benzodiazepine.
What is the SMILES notation for 7-chloro-2-methyl-2,4-di(thiophen-3-yl)-1,3-dihydro-1,5-benzodiazepine?
The canonical SMILES for 7-chloro-2-methyl-2,4-di(thiophen-3-yl)-1,3-dihydro-1,5-benzodiazepine is CC1(c2ccsc2)CC(c2ccsc2)=Nc2cc(Cl)ccc2N1.
What is the InChIKey of 7-chloro-2-methyl-2,4-di(thiophen-3-yl)-1,3-dihydro-1,5-benzodiazepine?
The InChIKey is UTBSTIQGQARCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2S2/c1-18(13-5-7-23-11-13)9-17(12-4-6-22-10-12)20-16-8-14(19)2-3-15(16)21-18/h2-8,10-11,21H,9H2,1H3.
What are the key properties of 7-chloro-2-methyl-2,4-di(thiophen-3-yl)-1,3-dihydro-1,5-benzodiazepine?
7-chloro-2-methyl-2,4-di(thiophen-3-yl)-1,3-dihydro-1,5-benzodiazepine has a molecular weight of 358.92 g/mol, XLogP of 6.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-methyl-2,4-di(thiophen-3-yl)-1,3-dihydro-1,5-benzodiazepine is sourced from PubChem (CID 44542028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).